(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane

C32H42 — CID 58820692

IUPAC(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
SMILESC1CC2CC3CC4C[C@@H]5CCC6C[C@@H]7CC8CC1C1[C@H]2C2C9C%10C(C6[C@@H]5[C@H]%10[C@@H]4C32)[C@H]7C8[C@@H]91
InChIInChI=1S/C32H42/c1-2-12-6-16-10-18-8-14-4-3-13-7-17-9-15-5-11(1)19-20(12)28-24(16)26(18)30-22(14)21(13)29-25(17)23(15)27(19)31(28)32(29)30/h11-32H,1-10H2/t11-,12?,13?,14?,15?,16+,17?,18?,19+,20?,21-,22?,23-,24+,25?,26?,27-,28?,29?,30-,31?,32?/m0/s1
InChIKeyAOHOWTNKXCRBME-XUEZKMSHSA-N
MW426.69 g/mol
LogP6.61
Rot. Bonds

About (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane

(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane (PubChem CID 58820692) has the molecular formula C32H42 and a molecular weight of 426.69 g/mol. Its IUPAC name is (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane.

Molecular Properties

Compound Name(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
PubChem CID58820692
Molecular FormulaC32H42
Molecular Weight426.69 g/mol
Exact Mass426.33
IUPAC Name(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane
SMILESC1CC2CC3CC4C[C@@H]5CCC6C[C@@H]7CC8CC1C1[C@H]2C2C9C%10C(C6[C@@H]5[C@H]%10[C@@H]4C32)[C@H]7C8[C@@H]91
InChIInChI=1S/C32H42/c1-2-12-6-16-10-18-8-14-4-3-13-7-17-9-15-5-11(1)19-20(12)28-24(16)26(18)30-22(14)21(13)29-25(17)23(15)27(19)31(28)32(29)30/h11-32H,1-10H2/t11-,12?,13?,14?,15?,16+,17?,18?,19+,20?,21-,22?,23-,24+,25?,26?,27-,28?,29?,30-,31?,32?/m0/s1
InChIKeyAOHOWTNKXCRBME-XUEZKMSHSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.69
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane with MolForge

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Related Compounds

nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
octacyclo[17.7.1.04,25.07,24.010,23.013,22.015,20.021,26]heptacosane
CID 101255308
pentacyclo[13.3.1.05,18.08,17.011,16]nonadecane
CID 59725363
tetracyclo[10.2.1.05,14.08,13]pentadecane
CID 13164121
tricosacyclo[27.9.7.79,25.710,20.46,42.228,44.05,39.033,45.035,43.037,41.146,48.014,65.016,63.018,61.024,59.040,50.047,52.049,56.051,58.053,60.054,66.055,62.057,64]hexahexacontane
CID 139213160
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
(16S,21R,23R,25S,28S,30R,32S,34R,37R,39S,41R,46S)-nonadecacyclo[41.11.1.17,19.110,52.116,28.125,37.134,46.03,53.05,9.08,12.014,18.017,21.023,27.026,30.032,36.035,39.041,45.044,48.050,54]hexacontane
CID 134943434
4-cyclopentyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 141155389
heptacyclo[14.7.1.02,14.03,11.04,8.05,23.020,24]tetracosane
CID 91257687

Frequently Asked Questions

What is the IUPAC name of (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane?
The IUPAC name of (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane (CID 58820692) is (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane.
What is the SMILES notation for (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane?
The canonical SMILES for (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane is C1CC2CC3CC4C[C@@H]5CCC6C[C@@H]7CC8CC1C1[C@H]2C2C9C%10C(C6[C@@H]5[C@H]%10[C@@H]4C32)[C@H]7C8[C@@H]91.
What is the InChIKey of (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane?
The InChIKey is AOHOWTNKXCRBME-XUEZKMSHSA-N. The full InChI is InChI=1S/C32H42/c1-2-12-6-16-10-18-8-14-4-3-13-7-17-9-15-5-11(1)19-20(12)28-24(16)26(18)30-22(14)21(13)29-25(17)23(15)27(19)31(28)32(29)30/h11-32H,1-10H2/t11-,12?,13?,14?,15?,16+,17?,18?,19+,20?,21-,22?,23-,24+,25?,26?,27-,28?,29?,30-,31?,32?/m0/s1.
What are the key properties of (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane?
(3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane has a molecular weight of 426.69 g/mol, XLogP of 6.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,8S,12R,17S,19S,22S,23S,24R,29S,32R)-dodecacyclo[15.13.1.13,26.05,25.08,24.010,22.012,21.014,19.018,29.020,28.023,27.030,32]dotriacontane is sourced from PubChem (CID 58820692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).